- InChI
- InChI=1S/C33H65N/c1-4-32(2)28-26-24-22-20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21-23-25-27-29-33(3)30-31-34/h32-33H,4-30H2,1-3H3
- InChI Key
- WHDNOVMWLCDENV-UHFFFAOYSA-N
- Formula
- C33H65N
- SMILES
-
CCC(C)CCCCCCCCCCCCCCCCCCCCCCCC
CC(C)CC#N - Molecular Weight1
- 475.88
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 1.3256 | Relay (1.0) Calculated Property | |
| ΔfG° | 355.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -624.83 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 75.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 164.37 | kJ/mol | Relay (1.0) Calculated Property |
| log10WS | -11.62 | Relay (1.0) Calculated Property | |
| logPoct/wat | 12.335 | Crippen Calculated Property | |
| McVol | 477.210 | ml/mol | McGowan Calculated Property |
| Pc | 517.70 | kPa | Joback Calculated Property |
| Inp | [3571.00; 3571.00] |
|
|
| Inp | 3571.00 | NIST | |
| Inp | 3571.00 | NIST | |
| Tboil | 690.90 | K | Relay (1.0) Calculated Property |
| Tc | 909.62 | K | Relay (1.0) Calculated Property |
| Tfus | 315.65 | K | Relay (1.0) Calculated Property |
| Vc | 1.832 | m3/kmol | Relay (1.0) Calculated Property |
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Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1737.40; 1880.85] | J/mol×K | [1055.84; 1330.53] |
|
| Cp,gas | 1737.40 | J/mol×K | 1055.84 | Joback Calculated Property |
| Cp,gas | 1765.94 | J/mol×K | 1101.62 | Joback Calculated Property |
| Cp,gas | 1792.34 | J/mol×K | 1147.40 | Joback Calculated Property |
| Cp,gas | 1816.81 | J/mol×K | 1193.18 | Joback Calculated Property |
| Cp,gas | 1839.58 | J/mol×K | 1238.96 | Joback Calculated Property |
| Cp,gas | 1860.86 | J/mol×K | 1284.75 | Joback Calculated Property |
| Cp,gas | 1880.85 | J/mol×K | 1330.53 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,28-Dimethyl-triacontyl cyanide.
Sources
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